SCHEMBL839388

SCHEMBL839388

Cc1cnc(NC(=O)[C@@H](O)C(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
IDO1 P14902 2/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
GCK P35557 3/20 0.37
ALDH1A1 P00352 3/20 0.37
FFAR2 O15552 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
GAA P10253 1/20 0.35
HDAC1 Q13547 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL839389 1.00 NOTUM (0.43) NOTUMIDO1RAB9ANPC1SMN1; SMN2
SCHEMBL18214838 0.86 NOTUM (0.44) NOTUMIDO1RAB9ANPC1SMN1; SMN2
SCHEMBL26764538 0.84 NOTUM (0.46) NOTUMIDO1RAB9ANPC1SMN1; SMN2
SCHEMBL839228 0.79 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL839227 0.79 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL839347 0.79 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL321546 0.76 NOTUM (0.50) NOTUMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL838003 0.76 GCK (0.45) NOTUMIDO1RAB9ANPC1SMN1; SMN2
SCHEMBL838004 0.76 GCK (0.45) NOTUMIDO1RAB9ANPC1SMN1; SMN2
SCHEMBL839059 0.75 NOTUM (0.45) NOTUMIDO1MAPTGCKKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 NOTUM 1194/4885IDO1 3277/4885RAB9A 3239/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.